| Number |
fl-m0577 |
| Declustering Potential(DP) |
|
| Collision Energy(CE) |
|
| Observed mass(Da) |
493.1341 |
| Exact mass(Da) |
493.1341 |
| Accurate mass error(ppm) |
|
| Molecular formula |
C23H25O12 |
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
|
| Product ions(Q3) |
|
| Main fragments |
331.1, 315.0, 270.2 |
| Compound |
Malvidin 3-O-hexoside |
| Identification |
putative |
| class |
|
| Organism |
Oryza sativa |
| Reference |
Hyun JW et. al (2004) |
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:30200 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
480-10-4;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
kaempferol 3-O-glucoside;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A kaempferol O-glucoside in which a glucosyl residue is attached at position 3 of kaempferol via a beta-glycosidic linkage.;; |
| DrugBank Database Links |
|
| Formulae |
C21H20O11;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one;; |
| InChI |
InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1;; |
| InChIKey |
JPUKWEQWGBDDQB-QSOFNFLRSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
LMPK12111725;; |
| Last Modified |
28 Jul 2014;; |
| Mass |
448.37690;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
US2006240077;; |
| PubChem Database Links |
8146244;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
22766709;;22489129;;22210036;;21466157;;21329934;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
|
| SMILES |
OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O;; |
| Secondary ChEBI ID |
CHEBI:31745;; |
| Star |
3;; |
| Synonyms |
kaempferol-3-O-beta-glucopyranoside;;Kaempferol 3-O-glucoside;;Kaempferol 3-O-beta-D-glucoside;;Astragalin;;5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl beta-D-glucopyranoside;;4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2 |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9LRQ8;;Q9LNE6;;Q940Z5;; |
| ChEBI Image |
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